SCHEMBL14516640

SCHEMBL14516640

O=C(Nc1cnc(Cl)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.74
KCNQ2 O43526 8/20 0.74
KCNE1 P15382 6/20 0.74
KCNQ1 P51787 6/20 0.74
KCNQ5 Q9NR82 6/20 0.72
NFKB1 P19838 2/20 0.67
JUN P05412 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
ATF1 P18846 1/20 0.59
TRPV1 Q8NER1 3/20 0.59
PTGS1 P23219 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
RORC P51449 1/20 0.55
DEGS1 O15121 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14516645 0.85 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14339875 0.85 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL5338598 0.84 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14516646 0.83 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14516679 0.81 KCNQ3 (0.61) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3135086 0.81 KCNQ3 (0.86) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL14516642 0.80 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14516643 0.80 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14516639 0.80 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL5645475 0.80 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed